Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H20OS2/c1-3-14(17)11-12(2)15(16-18-9-10-19-16)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3
SMILES	CCC(=O)CC(C(=C1SCCS1)c1ccccc1)C
InChI Key	GQDXLOBJYIWLJL-UHFFFAOYSA-N
Molecular Formula	C16H20OS2
Exact Mass	292.459 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GQDXLOBJYIWLJL-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/GQDXLOBJYIWLJL-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:21:55.165102
MetadataModified	2024-09-07T14:16:37.797135
MetadataPublished	2018-04-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
133053730	PubChem
The data in this table is sourced from UniChem at EBI.